SCHEMBL5025376

SCHEMBL5025376

Cc1cc(N2CCCC2)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.57
▸ HTT P42858 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ USP2 O75604 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5028584 0.82 NCF1 (0.65) NCF1HTTLMNAUSP2MAPK1
SCHEMBL30511704 0.75 NCF1 (0.97) NCF1HTTLMNAUSP2MAPK1
SCHEMBL6710308 0.75 NCF1 (0.58) NCF1HTTLMNAUSP2MAPK1
SCHEMBL5022698 0.75 NCF1 (0.54) NCF1HTTLMNAUSP2MAPK1
SCHEMBL5397410 0.74 NCF1 (0.72) NCF1HTTLMNAUSP2MAPK1
SCHEMBL27597792 0.74 NCF1 (0.53) NCF1HTTLMNAUSP2MAPK1
SCHEMBL5024416 0.73 NCF1 (0.53) NCF1HTTLMNAUSP2MAPK1
SCHEMBL5419192 0.73 NCF1 (0.56) NCF1HTTLMNAUSP2MAPK1
SCHEMBL5401181 0.73 NCF1 (0.74) NCF1HTTLMNAUSP2MAPK1
Hydrochloric Acid SCHEMBL5763344 0.72 NCF1 (0.66) NCF1HTTLMNAUSP2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP disclosed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 — — CN disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R NCF1 1858/4885HTT 965/4885LMNA 2624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback